3-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]propan-1-ol

Systemtic Name: 3-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]propan-1-ol Openeye Name: 3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propan-1-ol CAS Name: 3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]-1-propanol IUPAC Name: 3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propan-1-ol Traditional Name: 3-(4-besyl-5-oxido-furazan-5-ium-3-yl)oxypropan-1-ol Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=[N+](ON=C2OCCCO)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=[N+](ON=C2OCCCO)[O-]

InChI

InChI=1S/C11H12N2O6S/c14-7-4-8-18-10-11(13(15)19-12-10)20(16,17)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2